Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
GPCR_HUMAN_201601 (GPCR_HUMAN - Jan 2016)
Download :
Data.csv
|
3D Models
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
|
Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
Y01 - [nb=81] --> CHOLESTEROL HEMISUCCINATE
GLU - [nb=49] --> GLUTAMIC ACID
CHAIN - [nb=31] --> Distinctin chain B
2CV - [nb=30] --> HEGA-10
SOG - [nb=24] --> .....AHYDRO-PYRAN-3,4,5-TRIOL)
Z99 - [nb=22] --> .....H-XANTHEN-9-YL)-D-ALANINE
52Q - [nb=22] --> .....ane-2,6-dicarboxylic acid
D10 - [nb=17] --> DECANE
OLC - [nb=16] --> .....PYL (9Z)-OCTADEC-9-ENOATE
C5A - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
C5B - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
52A - [nb=15] --> .....INE-2,4-DICARBOXYLIC ACID
40H - [nb=13] --> .....ne]-4,6-dicarboxylic acid
2CG - [nb=13] --> .....ANE-1,2-DICARBOXYLIC ACID
NAG - [nb=12] --> ..... (N-ACETYL-D-GLUCOSAMINE)
GGL - [nb=12] --> GAMMA-L-GLUTAMIC ACID
CLR - [nb=12] --> CHOLESTEROL
STE - [nb=10] --> STEARIC ACID
OLA - [nb=7] --> OLEIC ACID
0HK - [nb=6] --> .....cyclo[3.3.1.0~2,4~]nonane
OLB - [nb=6] --> .....PYL (9Z)-OCTADEC-9-ENOATE
HTO - [nb=6] --> HEPTANE-1,2,3-TRIOL
40F - [nb=5] --> .....ane-2,6-dicarboxylic acid
ML5 - [nb=5] --> .....-OXOBUTYL}PHOSPHONIC ACID
0NN - [nb=4] --> .....-YL)PROPYL]-D-PROLINAMIDE
MRV - [nb=4] --> .....YL]CYCLOHEXANECARBOXAMIDE
RAA - [nb=4] --> SUGAR (ALPHA-RHAMNOSE)
3C0 - [nb=4] --> N-methyl scopolamine
PGW - [nb=3] --> .....HYL (9Z)-OCTADEC-9-ENOATE
MES - [nb=3] --> .....LINO)-ETHANESULFONIC ACID
QNB - [nb=3] --> ..... HYDROXY(DIPHENYL)ACETATE
ITD - [nb=2] --> .....LOHEXYLIMIDOTHIOCARBAMATE
2ID - [nb=2] --> .....thyl dihydrogen phosphate
BNG - [nb=2] --> SUGAR (B-NONYLGLUCOSIDE)
RAM - [nb=2] --> SUGAR (ALPHA-L-RHAMNOSE)
4VO - [nb=2] --> .....naphtho[2,1-g]indol-10-ol
3N6 - [nb=2] --> .....]CARBONYL}-D-TYROSINAMIDE
MCG - [nb=2] --> .....YL-4-CARBOXYPHENYLGLYCINE
1Q5 - [nb=2] --> .....YLPHENOXY)PYRIDIN-4-AMINE
2BQ - [nb=1] --> 2-HYDROXYSACLOFEN
2BX - [nb=1] --> .....ORPHOLIN-2-YL]ACETIC ACID
1PE - [nb=1] --> PENTAETHYLENE GLYCOL
2BY - [nb=1] --> PHACLOFEN
2C0 - [nb=1] --> BACLOFEN
2BV - [nb=1] --> .....OXYPROPYL]PHOSPHINIC ACID
4E6 - [nb=1] --> .....6E)-HEXADECA-1,4,6-TRIENE
ABU - [nb=1] --> GAMMA-AMINO-BUTANOIC ACID
N7R - [nb=1] --> .....)PIPERIDINE-1-CARBOXAMIDE
PLM - [nb=1] --> PALMITIC ACID
1KS - [nb=1] --> .....TRIFLUOROMETHYL)BENZAMIDE
381 - [nb=1] --> .....XYLMETHYL)PHOSPHINIC ACID
EJ4 - [nb=1] --> .....B]CARBAZOLE-1,8A(9H)-DIOL
5EH - [nb=1] --> .....,N-DIMETHYLPROPAN-1-AMINE
2BW - [nb=1] --> .....OXYMETHYL)PHOSPHINIC ACID
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
50
QRFPR_HUMAN
20
31%
0.253
PF00001
45 -
(0)
?
- / - / -
0
51
OR4A4_HUMAN
6
46%
0.243
PF10413
28 -
(0)
?
- / - / -
0
52
GALR1_HUMAN
20
40%
0.247
PF00001
117 -
(0)
2
- / - / -
0
53
OR4M1_HUMAN
9
31%
0.276
PF00001
34 -
(0)
?
- / - / -
0
54
OR2BB_HUMAN
0
33%
0.283
PF00001
69 -
(0)
?
- / - / -
0
55
MC3R_HUMAN
20
43%
0.347
PF00001
47 -
(0)
?
- / - / -
0
56
LGR6_HUMAN
19
62%
0.388
PF01462
29 -
(0)
?
- / - / -
0
57
OR2L8_HUMAN
4
34%
0.251
PF10413
41 -
(0)
?
- / - / -
0
58
FZD9_HUMAN
17
49%
0.504
PF01392
12 -
(0)
1
- / - / -
0
59
GPC5B_HUMAN
0
22%
0.291
PF00959
11 -
(0)
?
- / - / -
0
60
OR5T2_HUMAN
7
31%
0.320
PF00001
42 -
(0)
?
- / - / -
0
61
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
62
OR5M3_HUMAN
9
42%
0.295
PF00001
50 -
(0)
?
- / - / -
0
63
TS1R2_HUMAN
20
28%
0.460
PF07562
33 -
(0)
?
- / - / -
0
64
T2R45_HUMAN
11
30%
0.244
PF00001
12 -
(0)
?
- / - / -
0
65
TS1R1_HUMAN
20
29%
0.497
PF07562
24 -
(0)
?
- / - / -
0
66
OR8D4_HUMAN
12
29%
0.343
PF00001
25 -
(0)
?
- / - / -
0
67
O4F15_HUMAN
14
40%
0.269
PF10413
30 -
(0)
?
- / - / -
0
68
5HT2C_HUMAN
36
47%
0.356
PF00001
C4_S1
220 -
(0)
8
- /
1
/
16
0
69
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
70
OR7G2_HUMAN
5
32%
0.314
PF00001
46 -
(0)
?
- / - / -
0
71
OR4E2_HUMAN
5
27%
0.251
PF10413
33 -
(0)
?
- / - / -
0
72
GPR3_HUMAN
20
34%
0.292
PF00001
49 -
(0)
?
- / - / -
0
73
OR2V1_HUMAN
7
31%
0.255
PF00001
33 -
(0)
?
- / - / -
0
74
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
75
OR2LD_HUMAN
11
41%
0.257
PF00001
55 -
(0)
?
- / - / -
0
76
OR4D9_HUMAN
10
32%
0.236
PF00001
35 -
(0)
?
- / - / -
0
77
AGRG3_HUMAN
7
30%
0.103
PF00001
10 -
(0)
?
- / - / -
0
78
T2R41_HUMAN
11
29%
0.252
PF00001
14 -
(0)
?
- / - / -
0
79
OR2B3_HUMAN
5
40%
0.226
PF10413
30 -
(0)
?
- / - / -
0
80
P2Y13_HUMAN
15
48%
0.287
PF00001
34 -
(0)
?
- / - / -
0
81
O52N4_HUMAN
8
33%
0.157
PF00001
32 -
(0)
?
- / - / -
0
82
OR4F3_HUMAN
4
50%
0.192
PF10413
24 -
(0)
?
- / - / -
0
83
O4F21_HUMAN
4
50%
0.174
PF10413
24 -
(0)
?
- / - / -
0
84
OR5BH_HUMAN
6
40%
0.329
PF00001
27 -
(0)
?
- / - / -
0
85
HCAR2_HUMAN
19
34%
0.229
PF00001
72 -
(0)
?
- / - / -
0
86
S1PR3_HUMAN
20
57%
0.338
PF00001
C1_S1
34 -
(0)
?
- /
1
/ -
0
87
OR5R1_HUMAN
12
28%
0.320
PF00001
52 -
(0)
?
- / - / -
0
88
O51B6_HUMAN
4
43%
0.236
PF00001
50 -
(0)
?
- / - / -
0
89
VIPR2_HUMAN
9
46%
0.350
PF00001
15 -
(0)
1
- / - / -
0
90
PE2R2_HUMAN
13
29%
0.386
PF00001
85 -
(0)
?
- / - / -
0
91
BKRB1_HUMAN
20
34%
0.277
PF00001
71 -
(0)
?
- / - / -
0
92
OR4CF_HUMAN
9
66%
0.225
PF00001
33 -
(0)
?
- / - / -
0
93
O4A47_HUMAN
13
26%
0.324
PF00001
22 -
(0)
?
- / - / -
0
94
GPR18_HUMAN
18
29%
0.288
PF00001
56 -
(0)
?
- / - / -
0
95
GP160_HUMAN
11
17%
0.300
PF00001
17 -
(0)
?
- / - / -
0
96
O51F1_HUMAN
13
32%
0.255
PF00001
51 -
(0)
?
- / - / -
0
97
O11L1_HUMAN
1
53%
0.312
PF00001
74 -
(0)
?
- / - / -
0
98
O52Z1_HUMAN
11
33%
0.218
PF00001
46 -
(0)
?
- / - / -
0
99
T2R40_HUMAN
11
37%
0.213
PF00001
14 -
(0)
?
- / - / -
0
100
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
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